#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fb1 s VAL 5 N 0.00 4.06 0.15 -3.33 -7.23 -1.26 -5.05 120.40 107.74 3fb1 s VAL 5 Ca 0.00 -0.54 -0.34 0.00 -1.81 0.00 0.00 61.98 59.29 3fb1 s VAL 5 Cb 0.00 -2.76 -0.14 0.00 0.56 0.00 0.00 36.38 34.03 3fb1 s VAL 5 CO 0.00 0.45 1.54 0.41 -0.31 0.00 0.00 175.10 177.19 3fb1 n THR 6 N 1.66 0.05 -0.93 5.32 -1.04 -1.26 -4.67 114.28 113.42 3fb1 n THR 6 Ca -0.16 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.63 3fb1 n THR 6 Cb 0.53 -1.44 -0.07 0.00 -1.82 0.00 0.00 70.33 67.53 3fb1 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fb1 n ALA 7 N 3.22 5.79 -1.97 2.41 0.00 -1.26 -4.57 120.51 124.13 3fb1 n ALA 7 Ca 0.17 -2.20 -0.22 0.00 0.00 0.00 0.00 53.44 51.19 3fb1 n ALA 7 Cb 0.28 -2.80 0.04 0.00 0.00 0.00 0.00 19.45 16.96 3fb1 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fb1 s ASN 8 N 2.52 5.19 0.33 0.00 2.20 -1.26 -4.87 114.94 119.04 3fb1 s ASN 8 Ca 0.54 0.04 0.02 0.00 -0.94 0.00 0.00 52.86 52.53 3fb1 s ASN 8 Cb 0.19 -0.89 0.60 0.00 -2.00 0.00 0.00 41.25 39.15 3fb1 s ASN 8 CO -0.03 -1.22 1.95 -0.29 -2.94 0.00 0.00 177.10 174.57 3fb1 h ILE 9 N -0.04 1.09 -0.08 0.54 6.09 -1.94 -0.43 117.51 122.75 3fb1 h ILE 9 Ca -0.42 -0.32 -0.02 0.00 -1.37 0.00 0.00 64.86 62.72 3fb1 h ILE 9 Cb 1.30 0.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.66 3fb1 h ILE 9 CO 0.53 0.17 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.41 3fb1 h GLU 10 N 0.94 0.17 -0.44 2.19 4.39 -1.94 0.27 114.58 120.16 3fb1 h GLU 10 Ca 0.33 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 3fb1 h GLU 10 Cb 0.11 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3fb1 h GLU 10 CO -0.10 0.54 -0.11 -0.91 -1.16 0.00 0.00 179.01 177.27 3fb1 h ASN 11 N -0.21 0.78 -0.23 1.42 2.35 -1.73 -1.48 115.58 116.49 3fb1 h ASN 11 Ca 0.02 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.45 3fb1 h ASN 11 Cb 0.49 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3fb1 h ASN 11 CO 0.01 0.92 -0.18 0.58 -1.65 0.00 0.00 177.43 177.10 3fb1 h VAL 12 N 0.72 1.32 -0.82 2.81 2.07 -1.07 -2.33 116.25 118.95 3fb1 h VAL 12 Ca 0.12 -1.32 0.11 0.00 0.82 0.00 0.00 66.70 66.43 3fb1 h VAL 12 Cb 0.59 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 3fb1 h VAL 12 CO 0.04 0.41 0.45 0.50 0.02 0.00 0.00 177.57 178.98 3fb1 h LYS 13 N 0.22 0.70 -0.05 1.57 3.64 -0.23 0.54 116.57 122.96 3fb1 h LYS 13 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3fb1 h LYS 13 Cb 0.72 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3fb1 h LYS 13 CO 0.05 0.46 0.00 0.87 -2.27 0.00 0.00 179.45 178.57 3fb1 h LYS 14 N 0.72 0.08 -0.83 1.90 1.57 -1.13 0.15 116.57 119.03 3fb1 h LYS 14 Ca 0.41 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3fb1 h LYS 14 Cb 0.45 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3fb1 h LYS 14 CO -0.28 0.33 0.50 0.28 -0.57 0.00 0.00 179.45 179.71 3fb1 h VAL 15 N -0.19 1.23 -0.37 0.50 2.07 -0.93 -0.38 116.25 118.18 3fb1 h VAL 15 Ca 0.01 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3fb1 h VAL 15 Cb 0.30 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3fb1 h VAL 15 CO 0.00 0.24 0.15 0.00 0.02 0.00 0.00 177.57 177.98 3fb1 h ALA 16 N 1.27 0.48 -0.58 1.67 0.00 -0.75 -1.87 119.26 119.47 3fb1 h ALA 16 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3fb1 h ALA 16 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3fb1 h ALA 16 CO -0.06 0.07 0.24 0.45 0.00 0.00 0.00 179.25 179.95 3fb1 h HIS 17 N 0.45 0.84 -0.01 0.00 -0.00 -0.20 0.12 115.15 116.34 3fb1 h HIS 17 Ca 0.12 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3fb1 h HIS 17 Cb 0.18 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 3fb1 h HIS 17 CO -0.00 0.64 0.00 1.25 -0.00 0.00 0.00 177.93 179.82 3fb1 h HIS 18 N 0.83 0.01 -0.95 2.45 6.17 -0.93 -2.45 115.15 120.27 3fb1 h HIS 18 Ca 0.20 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.35 3fb1 h HIS 18 Cb 0.15 -0.00 -0.07 0.00 2.52 0.00 0.00 27.41 30.01 3fb1 h HIS 18 CO 0.01 0.12 0.62 0.82 0.71 0.00 0.00 177.93 180.20 3fb1 h ILE 19 N -0.10 1.05 0.00 6.26 2.04 -0.78 -0.02 117.51 125.96 3fb1 h ILE 19 Ca 0.00 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3fb1 h ILE 19 Cb 0.11 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3fb1 h ILE 19 CO -0.00 0.20 -0.01 1.56 0.00 0.00 0.00 178.15 179.89 3fb1 h GLN 20 N 1.07 0.00 0.00 2.37 4.20 -0.53 0.14 115.11 122.36 3fb1 h GLN 20 Ca 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 3fb1 h GLN 20 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fb1 h GLN 20 CO -0.17 0.01 -0.05 0.87 -0.67 0.00 0.00 178.83 178.83 3fb1 h LYS 21 N 0.00 0.00 0.00 1.46 1.57 -0.53 -3.28 116.57 115.79 3fb1 h LYS 21 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fb1 h LYS 21 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fb1 h LYS 21 CO 0.00 0.05 -1.04 1.28 -0.57 0.00 0.00 179.45 179.17 3fb1 n LEU 22 N -3.11 0.61 -3.60 2.94 4.77 0.38 -4.95 117.00 114.03 3fb1 n LEU 22 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 3fb1 n LEU 22 Cb 0.53 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3fb1 n LEU 22 CO 0.34 0.03 0.25 0.28 -1.33 0.00 0.00 177.39 176.96 3fb1 s THR 23 N -3.21 0.03 -1.76 -5.08 -1.32 -0.55 -5.01 115.64 98.74 3fb1 s THR 23 Ca 0.03 -0.27 0.16 0.00 -1.21 0.00 0.00 61.69 60.40 3fb1 s THR 23 Cb 0.14 -0.94 0.27 0.00 -1.51 0.00 0.00 72.50 70.46 3fb1 s THR 23 CO 0.80 -0.15 1.18 -1.54 -2.21 0.00 0.00 174.62 172.70 3fb1 n SER 24 N 0.58 2.81 -4.64 8.08 3.41 -1.26 -4.45 113.62 118.14 3fb1 n SER 24 Ca -0.19 -1.82 -0.43 0.00 -0.26 0.00 0.00 58.87 56.17 3fb1 n SER 24 Cb 0.59 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3fb1 n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3fb1 s ILE 25 N -1.21 4.05 -0.55 -1.33 -1.09 -1.26 -4.97 121.20 114.83 3fb1 s ILE 25 Ca 0.26 1.22 -0.16 0.00 -2.23 0.00 0.00 60.65 59.73 3fb1 s ILE 25 Cb 0.16 -3.95 0.12 0.00 -1.58 0.00 0.00 42.46 37.20 3fb1 s ILE 25 CO 0.22 -0.30 0.53 -0.69 -1.23 0.00 0.00 174.94 173.47 3fb1 s VAL 26 N 4.25 5.15 0.38 2.92 1.01 -1.26 -5.02 120.40 127.84 3fb1 s VAL 26 Ca 0.60 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 3fb1 s VAL 26 Cb -0.21 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.72 3fb1 s VAL 26 CO 0.22 -0.90 1.24 -2.16 0.00 0.00 0.00 175.10 173.50 3fb1 s PRO 27 N 1.77 4.10 -0.02 2.72 0.05 -1.25 -4.77 135.00 137.60 3fb1 s PRO 27 Ca 0.04 2.02 0.14 0.00 0.05 0.00 0.00 61.00 63.25 3fb1 s PRO 27 Cb -0.29 -2.80 -0.21 0.00 0.05 0.00 0.00 34.50 31.25 3fb1 s PRO 27 CO 0.04 -0.34 0.37 0.39 0.05 0.00 0.00 177.00 177.51 3fb1 n GLU 28 N 0.27 0.80 -4.49 4.56 1.02 -0.09 -2.82 120.64 119.88 3fb1 n GLU 28 Ca 0.03 -0.11 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 3fb1 n GLU 28 Cb 0.45 -1.31 -0.17 0.00 -0.02 0.00 0.00 31.44 30.39 3fb1 n GLU 28 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fb1 s ILE 29 N -2.88 1.27 -0.11 -3.67 1.01 -1.01 0.54 121.20 116.35 3fb1 s ILE 29 Ca -0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 3fb1 s ILE 29 Cb 0.10 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3fb1 s ILE 29 CO 0.60 0.39 0.10 -0.83 0.00 0.00 0.00 174.94 175.20 3fb1 s GLY 30 N 0.88 2.07 -0.08 6.18 0.00 0.42 -0.73 107.32 116.05 3fb1 s GLY 30 Ca -0.10 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 43.94 3fb1 s GLY 30 CO 0.01 -0.41 -0.09 -0.42 0.00 0.00 0.00 173.10 172.18 3fb1 s ILE 31 N -0.94 1.00 -0.21 0.90 1.01 0.28 0.30 121.20 123.55 3fb1 s ILE 31 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 3fb1 s ILE 31 Cb -0.12 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3fb1 s ILE 31 CO 0.03 0.34 -0.11 -0.63 0.00 0.00 0.00 174.94 174.58 3fb1 s ILE 32 N 1.10 2.70 -0.10 2.92 1.01 0.21 0.29 121.20 129.33 3fb1 s ILE 32 Ca -0.07 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3fb1 s ILE 32 Cb -0.14 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 3fb1 s ILE 32 CO -0.01 0.40 0.22 0.00 0.00 0.00 0.00 174.94 175.55 3fb1 n GLY 34 N 2.25 0.22 3.49 0.00 0.00 -0.70 -4.81 105.19 105.64 3fb1 n GLY 34 Ca -0.17 -1.86 -0.51 0.00 0.00 0.00 0.00 46.02 43.47 3fb1 n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fb1 n SER 35 N -2.68 2.27 0.00 1.61 2.88 -1.26 -1.38 113.62 115.05 3fb1 n SER 35 Ca 0.00 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 3fb1 n SER 35 Cb 0.00 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 3fb1 n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fb1 n GLY 36 N 6.14 0.79 0.00 0.46 0.00 -1.26 -4.58 105.19 106.74 3fb1 n GLY 36 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3fb1 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fb1 n LEU 37 N 0.00 0.00 -1.49 0.99 7.99 -0.48 -4.72 117.00 119.29 3fb1 n LEU 37 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.83 3fb1 n LEU 37 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 3fb1 n LEU 37 CO 0.00 0.00 -0.18 0.61 -1.51 0.00 0.00 177.39 176.31 3fb1 n GLY 38 N 5.00 1.07 0.24 -0.72 0.00 -1.26 -4.79 105.19 104.74 3fb1 n GLY 38 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3fb1 n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fb1 n LYS 39 N -2.55 0.87 -0.06 1.61 2.85 -1.26 -3.44 118.16 116.18 3fb1 n LYS 39 Ca -0.18 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.89 3fb1 n LYS 39 Cb 0.59 -1.21 -0.13 0.00 -0.65 0.00 0.00 35.03 33.62 3fb1 n LYS 39 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3fb1 n LEU 40 N -0.22 2.60 0.14 -5.58 0.00 -1.26 -4.01 117.00 108.67 3fb1 n LEU 40 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 56.01 56.12 3fb1 n LEU 40 Cb 0.11 -0.90 0.28 0.00 0.00 0.00 0.00 43.42 42.90 3fb1 n LEU 40 CO 0.00 0.86 0.75 0.00 0.00 0.00 0.00 177.39 179.00 3fb1 n ALA 41 N -3.08 0.57 0.11 1.96 0.00 -1.22 0.12 120.51 118.97 3fb1 n ALA 41 Ca -0.37 0.10 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 3fb1 n ALA 41 Cb 1.03 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 19.64 3fb1 n ALA 41 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3fb1 h ASP 42 N 0.00 0.47 -0.07 0.00 3.45 -1.80 -3.33 116.42 115.14 3fb1 h ASP 42 Ca 0.00 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 56.96 3fb1 h ASP 42 Cb 0.63 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3fb1 h ASP 42 CO 0.00 1.39 0.00 0.61 -1.57 0.00 0.00 179.24 179.67 3fb1 n GLY 43 N 1.53 -0.21 3.70 2.75 0.00 0.12 -4.86 105.19 108.23 3fb1 n GLY 43 Ca -0.09 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3fb1 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 44 N -1.92 3.50 0.15 1.61 1.01 -1.21 -4.89 120.40 118.64 3fb1 s VAL 44 Ca 0.36 1.01 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 3fb1 s VAL 44 Cb 0.18 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 3fb1 s VAL 44 CO 0.29 0.04 0.66 -0.54 0.00 0.00 0.00 175.10 175.56 3fb1 s LYS 45 N 1.66 4.29 -1.45 2.72 1.02 0.70 -4.10 119.74 124.59 3fb1 s LYS 45 Ca 0.64 0.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.38 3fb1 s LYS 45 Cb -0.34 -3.11 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 3fb1 s LYS 45 CO 0.29 0.54 1.04 -0.25 -0.92 0.00 0.00 175.35 176.04 3fb1 n ASP 46 N 1.31 -5.00 -4.78 2.83 10.43 -1.26 -1.48 116.55 118.60 3fb1 n ASP 46 Ca -0.06 -0.70 -0.35 0.00 2.57 0.00 0.00 54.79 56.26 3fb1 n ASP 46 Cb 0.50 -4.33 0.01 0.00 1.84 0.00 0.00 41.12 39.14 3fb1 n ASP 46 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 3fb1 s LYS 47 N -6.43 3.27 -0.30 -1.24 -2.85 -1.26 -4.61 119.74 106.32 3fb1 s LYS 47 Ca 0.57 1.54 0.03 0.00 -1.00 0.00 0.00 55.97 57.11 3fb1 s LYS 47 Cb -0.27 -2.00 0.08 0.00 -2.06 0.00 0.00 37.83 33.58 3fb1 s LYS 47 CO 0.79 -0.90 -0.02 0.42 0.10 0.00 0.00 175.35 175.74 3fb1 s ILE 48 N -1.92 2.17 -0.37 3.79 -1.09 0.41 -4.95 121.20 119.24 3fb1 s ILE 48 Ca 0.71 -1.96 -0.26 0.00 -2.23 0.00 0.00 60.65 56.90 3fb1 s ILE 48 Cb -0.22 -2.45 0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3fb1 s ILE 48 CO 0.30 -0.33 0.95 -0.89 -1.23 0.00 0.00 174.94 173.74 3fb1 s THR 49 N 1.03 4.56 -0.37 2.92 2.01 -1.26 -1.49 115.64 123.03 3fb1 s THR 49 Ca 0.01 1.23 -0.03 0.00 0.31 0.00 0.00 61.69 63.21 3fb1 s THR 49 Cb -0.19 -4.36 0.09 0.00 0.01 0.00 0.00 72.50 68.05 3fb1 s THR 49 CO -0.07 -0.56 0.14 -0.63 -0.69 0.00 0.00 174.62 172.81 3fb1 s ILE 50 N 3.54 3.29 0.30 1.82 1.01 -0.33 -4.97 121.20 125.85 3fb1 s ILE 50 Ca 0.39 -1.76 -0.30 0.00 0.00 0.00 0.00 60.65 58.98 3fb1 s ILE 50 Cb -0.12 -3.11 -0.11 0.00 0.01 0.00 0.00 42.46 39.13 3fb1 s ILE 50 CO 0.19 -0.48 1.55 -2.84 0.00 0.00 0.00 174.94 173.37 3fb1 s PRO 51 N 1.21 4.15 0.28 2.79 0.02 -1.26 0.71 135.00 142.89 3fb1 s PRO 51 Ca 0.03 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.60 3fb1 s PRO 51 Cb -0.22 -3.03 0.64 0.00 0.02 0.00 0.00 34.50 31.91 3fb1 s PRO 51 CO -0.02 -0.58 1.76 1.88 -0.33 0.00 0.00 177.00 179.70 3fb1 h TYR 52 N 4.64 0.86 -0.45 6.54 0.05 -1.16 0.30 116.97 127.76 3fb1 h TYR 52 Ca -0.47 0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.47 3fb1 h TYR 52 Cb 1.22 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 3fb1 h TYR 52 CO 0.58 0.17 0.55 1.79 -1.05 0.00 0.00 178.16 180.20 3fb1 h THR 53 N 0.64 0.28 0.00 -2.88 1.35 -1.89 0.10 112.91 110.51 3fb1 h THR 53 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 3fb1 h THR 53 Cb 0.80 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3fb1 h THR 53 CO -0.39 0.00 -0.39 1.17 -0.25 0.00 0.00 175.52 175.65 3fb1 n LYS 54 N -3.54 0.19 -3.63 4.72 4.81 0.11 -4.79 118.16 116.02 3fb1 n LYS 54 Ca 0.08 0.08 -0.39 0.00 -0.87 0.00 0.00 58.31 57.22 3fb1 n LYS 54 Cb 0.73 -1.65 -0.11 0.00 0.02 0.00 0.00 35.03 34.02 3fb1 n LYS 54 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3fb1 s ILE 55 N -3.10 4.63 0.03 3.15 1.01 0.36 -5.03 121.20 122.24 3fb1 s ILE 55 Ca 0.09 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 59.91 3fb1 s ILE 55 Cb 0.15 -3.42 -0.10 0.00 0.01 0.00 0.00 42.46 39.10 3fb1 s ILE 55 CO 0.67 -0.01 1.91 -2.65 0.00 0.00 0.00 174.94 174.86 3fb1 n PRO 56 N 4.99 2.66 -0.15 2.79 -0.02 -1.26 -1.53 135.00 142.48 3fb1 n PRO 56 Ca -0.13 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3fb1 n PRO 56 Cb 0.48 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3fb1 n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fb1 n ASN 57 N 6.78 0.00 -4.75 2.55 5.03 -1.26 -4.62 115.26 118.98 3fb1 n ASN 57 Ca 0.20 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.24 3fb1 n ASN 57 Cb 0.37 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.09 3fb1 n ASN 57 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3fb1 s PHE 58 N -2.92 3.36 0.56 3.10 5.36 -0.58 -4.83 117.98 122.02 3fb1 s PHE 58 Ca 0.00 1.48 -0.21 0.00 -0.96 0.00 0.00 56.93 57.24 3fb1 s PHE 58 Cb 0.00 -3.47 -0.05 0.00 -0.34 0.00 0.00 43.02 39.16 3fb1 s PHE 58 CO 0.00 -1.25 1.26 -2.30 -1.46 0.00 0.00 175.22 171.47 3fb1 n PRO 59 N 1.72 1.47 -4.92 10.12 -0.02 -1.26 -4.92 135.00 137.19 3fb1 n PRO 59 Ca 0.02 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 3fb1 n PRO 59 Cb 0.44 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 3fb1 n PRO 59 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3fb1 s GLN 60 N -2.84 2.87 0.00 -0.52 -0.21 -1.26 -4.85 119.66 112.85 3fb1 s GLN 60 Ca 0.73 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.37 3fb1 s GLN 60 Cb -0.42 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.15 3fb1 s GLN 60 CO 0.48 0.41 0.00 -2.37 -2.12 0.00 0.00 175.29 171.69 3fb1 n THR 61 N 2.93 0.00 0.00 -0.19 5.66 -1.26 -5.06 114.28 116.36 3fb1 n THR 61 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3fb1 n THR 61 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 3fb1 n THR 61 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3fb1 n VAL 63 N 0.00 0.00 0.00 1.08 3.14 -1.26 -4.83 118.33 116.46 3fb1 n VAL 63 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3fb1 n VAL 63 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3fb1 n VAL 63 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3fb1 n VAL 64 N 0.00 0.00 0.00 1.55 3.14 -1.26 -3.47 118.33 118.29 3fb1 n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3fb1 n VAL 64 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3fb1 n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fb1 n GLY 65 N 0.00 1.74 3.40 7.55 0.00 -1.26 -4.76 105.19 111.86 3fb1 n GLY 65 Ca 0.00 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 3fb1 n GLY 65 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3fb1 s HIS 66 N 0.00 3.55 0.72 1.61 0.00 -1.23 -5.03 115.29 114.91 3fb1 s HIS 66 Ca 0.00 -1.90 -0.11 0.00 -3.00 0.00 0.00 55.06 50.04 3fb1 s HIS 66 Cb 0.00 -4.09 0.02 0.00 -4.00 0.00 0.00 32.58 24.51 3fb1 s HIS 66 CO 0.00 -1.25 1.10 0.45 -1.00 0.00 0.00 174.74 174.04 3fb1 s SER 67 N 2.71 5.31 0.66 7.38 0.15 -1.26 -4.50 113.70 124.16 3fb1 s SER 67 Ca 0.30 1.16 -0.13 0.00 0.70 0.00 0.00 55.95 57.98 3fb1 s SER 67 Cb -0.07 -1.95 -0.00 0.00 -1.71 0.00 0.00 66.02 62.29 3fb1 s SER 67 CO -0.07 -1.43 1.07 -0.83 1.20 0.00 0.00 173.24 173.18 3fb1 s GLY 68 N -4.29 1.93 -0.01 9.45 0.00 -1.26 -4.91 107.32 108.23 3fb1 s GLY 68 Ca 0.59 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.63 3fb1 s GLY 68 CO 0.52 0.65 -0.00 -1.31 0.00 0.00 0.00 173.10 172.96 3fb1 s ASN 69 N -3.12 0.24 -0.51 1.64 0.01 0.21 -0.55 114.94 112.87 3fb1 s ASN 69 Ca 0.62 -0.02 -0.20 0.00 -0.71 0.00 0.00 52.86 52.56 3fb1 s ASN 69 Cb -0.17 -0.09 0.06 0.00 0.41 0.00 0.00 41.25 41.46 3fb1 s ASN 69 CO 0.46 -0.04 0.68 -0.22 -1.51 0.00 0.00 177.10 176.46 3fb1 s LEU 70 N 0.49 4.83 -0.33 0.60 2.96 0.22 -0.50 118.68 126.93 3fb1 s LEU 70 Ca -0.04 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 52.86 3fb1 s LEU 70 Cb -0.07 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 3fb1 s LEU 70 CO -0.01 -0.94 0.52 -0.63 -1.32 0.00 0.00 176.35 173.97 3fb1 s ILE 71 N 2.84 5.01 -0.07 6.68 1.01 0.14 -1.19 121.20 135.63 3fb1 s ILE 71 Ca 0.18 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 3fb1 s ILE 71 Cb -0.18 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3fb1 s ILE 71 CO 0.13 -0.17 0.09 -0.36 0.00 0.00 0.00 174.94 174.63 3fb1 s PHE 72 N 2.41 3.40 -2.31 3.97 0.40 -0.55 0.47 117.98 125.76 3fb1 s PHE 72 Ca 0.20 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 3fb1 s PHE 72 Cb -0.15 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.54 3fb1 s PHE 72 CO 0.13 0.61 0.00 0.41 0.70 0.00 0.00 175.22 177.07 3fb1 n GLY 73 N 1.73 -0.64 3.24 4.36 0.00 -0.87 0.16 105.19 113.16 3fb1 n GLY 73 Ca -0.17 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 3fb1 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fb1 s THR 74 N -3.80 1.72 -0.06 2.61 -4.23 -0.55 -0.40 115.64 110.92 3fb1 s THR 74 Ca 0.00 -0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3fb1 s THR 74 Cb 0.00 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.43 3fb1 s THR 74 CO 0.00 0.45 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.74 3fb1 s LEU 75 N -0.60 0.97 -1.54 4.79 1.43 0.14 -0.21 118.68 123.66 3fb1 s LEU 75 Ca 0.08 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3fb1 s LEU 75 Cb -0.08 -0.49 0.07 0.00 0.03 0.00 0.00 46.19 45.72 3fb1 s LEU 75 CO -0.00 -0.12 0.61 -1.20 0.23 0.00 0.00 176.35 175.86 3fb1 n SER 76 N 4.65 -1.89 0.00 2.29 7.64 -1.26 -0.23 113.62 124.81 3fb1 n SER 76 Ca -0.15 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.73 3fb1 n SER 76 Cb 0.50 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 3fb1 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fb1 n GLY 77 N -1.73 2.74 3.86 0.23 0.00 -1.26 -4.39 105.19 104.64 3fb1 n GLY 77 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3fb1 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fb1 s ARG 78 N -0.21 3.28 -0.05 1.61 1.81 0.67 -5.03 118.95 121.02 3fb1 s ARG 78 Ca 0.00 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 53.31 3fb1 s ARG 78 Cb 0.00 -2.99 -0.02 0.00 -0.45 0.00 0.00 34.95 31.48 3fb1 s ARG 78 CO 0.00 0.66 1.05 0.15 -0.68 0.00 0.00 175.30 176.48 3fb1 s LYS 79 N -1.92 4.45 0.19 3.54 1.02 -1.26 0.23 119.74 125.99 3fb1 s LYS 79 Ca 0.26 1.48 0.06 0.00 0.02 0.00 0.00 55.97 57.80 3fb1 s LYS 79 Cb -0.12 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 3fb1 s LYS 79 CO 0.18 -0.26 -0.12 0.14 -0.92 0.00 0.00 175.35 174.37 3fb1 s VAL 80 N 1.70 1.48 -0.13 3.17 -7.23 0.46 -0.92 120.40 118.93 3fb1 s VAL 80 Ca 0.52 -2.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3fb1 s VAL 80 Cb -0.21 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.75 3fb1 s VAL 80 CO 0.22 -0.62 -0.06 0.54 -0.31 0.00 0.00 175.10 174.87 3fb1 s VAL 81 N -3.14 0.96 -0.13 1.32 0.11 0.09 -2.05 120.40 117.56 3fb1 s VAL 81 Ca 0.21 -0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 3fb1 s VAL 81 Cb 0.01 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 3fb1 s VAL 81 CO 0.05 0.26 0.12 -0.69 -3.33 0.00 0.00 175.10 171.50 3fb1 s VAL 82 N 1.72 5.29 -0.42 2.04 1.01 0.18 -0.55 120.40 129.67 3fb1 s VAL 82 Ca 0.03 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 3fb1 s VAL 82 Cb -0.13 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.95 3fb1 s VAL 82 CO -0.08 0.58 0.51 -0.04 0.00 0.00 0.00 175.10 176.08 3fb1 s MET 83 N -0.74 3.23 -0.53 2.72 -1.94 0.15 -0.68 119.30 121.50 3fb1 s MET 83 Ca 0.13 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 3fb1 s MET 83 Cb -0.12 -3.94 0.13 0.00 2.01 0.00 0.00 34.83 32.91 3fb1 s MET 83 CO 0.03 -0.87 0.43 -1.14 -0.01 0.00 0.00 175.02 173.45 3fb1 s GLN 84 N 2.39 2.72 0.00 2.03 0.74 0.34 -3.81 119.66 124.07 3fb1 s GLN 84 Ca 0.16 -1.84 0.00 0.00 0.05 0.00 0.00 55.36 53.73 3fb1 s GLN 84 Cb -0.16 -4.07 0.00 0.00 1.10 0.00 0.00 33.01 29.88 3fb1 s GLN 84 CO 0.15 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 3fb1 n GLY 85 N 4.87 2.46 3.65 2.59 0.00 -1.26 0.67 105.19 118.16 3fb1 n GLY 85 Ca -0.07 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 3fb1 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fb1 s ARG 86 N -0.96 2.35 -0.30 1.61 3.52 -1.26 -4.86 118.95 119.05 3fb1 s ARG 86 Ca 0.00 -1.19 -0.01 0.00 -0.13 0.00 0.00 55.73 54.40 3fb1 s ARG 86 Cb 0.00 -2.30 0.05 0.00 -1.56 0.00 0.00 34.95 31.15 3fb1 s ARG 86 CO 0.00 0.43 0.00 -0.06 -0.81 0.00 0.00 175.30 174.86 3fb1 s PHE 87 N -1.86 3.28 -0.08 5.12 0.08 -1.26 -4.98 117.98 118.28 3fb1 s PHE 87 Ca 0.28 -1.93 -0.05 0.00 0.12 0.00 0.00 56.93 55.35 3fb1 s PHE 87 Cb -0.09 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 3fb1 s PHE 87 CO 0.19 -0.82 0.14 -1.01 -0.10 0.00 0.00 175.22 173.62 3fb1 s HIS 88 N 1.24 3.55 0.36 0.36 3.76 -1.26 -4.92 115.29 118.37 3fb1 s HIS 88 Ca -0.05 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.35 3fb1 s HIS 88 Cb -0.20 -1.89 0.67 0.00 1.11 0.00 0.00 32.58 32.27 3fb1 s HIS 88 CO -0.01 0.69 1.99 0.52 -0.85 0.00 0.00 174.74 177.08 3fb1 h MET 89 N 4.66 0.72 0.00 1.40 0.00 -1.87 -1.92 114.93 117.91 3fb1 h MET 89 Ca -0.53 -0.06 0.00 0.00 0.00 0.00 0.00 59.70 59.11 3fb1 h MET 89 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 31.60 32.66 3fb1 h MET 89 CO 0.61 0.52 0.00 0.10 0.00 0.00 0.00 176.91 178.14 3fb1 h TYR 90 N 0.73 0.00 0.00 -0.22 -0.00 -1.86 0.22 116.97 115.84 3fb1 h TYR 90 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.92 3fb1 h TYR 90 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3fb1 h TYR 90 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.55 3fb1 n GLU 91 N -3.08 0.11 -0.23 0.10 -0.58 -0.72 -4.79 120.64 111.46 3fb1 n GLU 91 Ca -0.03 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 3fb1 n GLU 91 Cb 0.09 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 3fb1 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fb1 n GLY 92 N 0.21 0.76 3.77 0.62 0.00 0.76 -5.06 105.19 106.25 3fb1 n GLY 92 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3fb1 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fb1 s TYR 93 N -2.22 2.47 0.87 1.61 2.02 -1.25 -4.99 117.35 115.87 3fb1 s TYR 93 Ca 0.00 1.28 -0.12 0.00 -0.37 0.00 0.00 57.07 57.86 3fb1 s TYR 93 Cb 0.00 -3.89 0.11 0.00 -0.40 0.00 0.00 41.96 37.78 3fb1 s TYR 93 CO 0.00 -2.87 1.10 -1.54 -1.57 0.00 0.00 175.55 170.68 3fb1 s SER 94 N -0.56 3.81 0.19 2.29 1.04 -1.26 -4.81 113.70 114.40 3fb1 s SER 94 Ca 0.61 1.26 -0.12 0.00 0.48 0.00 0.00 55.95 58.18 3fb1 s SER 94 Cb -0.43 -1.93 0.16 0.00 0.10 0.00 0.00 66.02 63.92 3fb1 s SER 94 CO 0.55 -2.39 1.78 0.78 0.98 0.00 0.00 173.24 174.94 3fb1 h ASN 95 N -1.38 0.35 -0.62 7.02 2.35 -1.94 -2.25 115.58 119.12 3fb1 h ASN 95 Ca -0.49 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.32 3fb1 h ASN 95 Cb 1.29 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.60 3fb1 h ASN 95 CO 0.59 0.24 0.38 0.44 -1.65 0.00 0.00 177.43 177.42 3fb1 h ASP 96 N 0.49 0.61 -0.70 5.81 3.32 -1.88 0.23 116.42 124.30 3fb1 h ASP 96 Ca 0.24 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.31 3fb1 h ASP 96 Cb 0.17 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3fb1 h ASP 96 CO -0.18 0.42 0.45 0.74 -1.72 0.00 0.00 179.24 178.95 3fb1 h THR 97 N 0.74 1.13 -0.02 0.35 2.02 -1.74 0.14 112.91 115.53 3fb1 h THR 97 Ca 0.25 -0.31 -0.22 0.00 0.77 0.00 0.00 66.41 66.90 3fb1 h THR 97 Cb 0.03 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3fb1 h THR 97 CO -0.11 0.16 -0.90 0.58 0.37 0.00 0.00 175.52 175.63 3fb1 h VAL 98 N 0.90 1.40 -0.22 3.16 2.07 -0.95 -3.29 116.25 119.31 3fb1 h VAL 98 Ca 0.27 -2.38 -0.15 0.00 0.82 0.00 0.00 66.70 65.26 3fb1 h VAL 98 Cb -0.04 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3fb1 h VAL 98 CO -0.08 0.71 -0.48 0.00 0.02 0.00 0.00 177.57 177.74 3fb1 h ALA 99 N 0.78 0.75 -0.10 1.67 0.00 -0.17 -3.36 119.26 118.82 3fb1 h ALA 99 Ca -0.07 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.40 3fb1 h ALA 99 Cb 1.52 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3fb1 h ALA 99 CO 0.15 0.67 -0.15 1.25 0.00 0.00 0.00 179.25 181.17 3fb1 h LEU 100 N 0.46 -0.47 -1.33 0.00 6.46 -0.80 -1.34 115.31 118.29 3fb1 h LEU 100 Ca 0.02 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.95 3fb1 h LEU 100 Cb 1.01 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.11 3fb1 h LEU 100 CO 0.09 -0.20 0.51 -0.65 -0.62 0.00 0.00 178.44 177.57 3fb1 h PRO 101 N -0.20 0.75 -0.35 5.25 0.11 -1.74 0.28 132.00 136.10 3fb1 h PRO 101 Ca 0.08 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.01 3fb1 h PRO 101 Cb 0.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3fb1 h PRO 101 CO -0.22 0.50 -0.33 0.82 -0.21 0.00 0.00 178.00 178.56 3fb1 h ILE 102 N 0.78 1.28 -0.19 4.15 1.08 -1.46 -0.99 117.51 122.16 3fb1 h ILE 102 Ca 0.35 -1.50 -0.12 0.00 -0.39 0.00 0.00 64.86 63.20 3fb1 h ILE 102 Cb 0.34 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 3fb1 h ILE 102 CO -0.13 0.50 -0.40 0.03 -0.69 0.00 0.00 178.15 177.46 3fb1 h ARG 103 N 0.65 0.42 -0.55 2.37 3.08 -0.46 -1.34 114.38 118.55 3fb1 h ARG 103 Ca 0.06 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3fb1 h ARG 103 Cb 0.91 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3fb1 h ARG 103 CO 0.08 0.76 0.35 0.28 -1.07 0.00 0.00 179.97 180.37 3fb1 h VAL 104 N 0.35 1.11 -0.84 2.04 2.07 -0.31 -1.12 116.25 119.56 3fb1 h VAL 104 Ca 0.03 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.40 3fb1 h VAL 104 Cb 0.86 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 3fb1 h VAL 104 CO 0.07 0.13 0.49 0.24 0.02 0.00 0.00 177.57 178.52 3fb1 h MET 105 N 0.71 0.80 -0.41 1.57 2.86 -0.66 0.55 114.93 120.34 3fb1 h MET 105 Ca 0.21 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3fb1 h MET 105 Cb -0.04 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 3fb1 h MET 105 CO -0.07 0.53 0.27 -0.22 1.06 0.00 0.00 176.91 178.48 3fb1 h LYS 106 N 0.82 0.53 -0.04 1.72 1.63 -0.27 0.16 116.57 121.13 3fb1 h LYS 106 Ca 0.40 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.07 3fb1 h LYS 106 Cb 0.35 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3fb1 h LYS 106 CO -0.24 0.35 -0.42 -0.07 -3.45 0.00 0.00 179.45 175.62 3fb1 h LEU 107 N 0.55 0.09 -0.33 5.20 4.07 -0.08 -2.07 115.31 122.74 3fb1 h LEU 107 Ca 0.15 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3fb1 h LEU 107 Cb -0.06 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.66 3fb1 h LEU 107 CO -0.04 0.50 0.00 0.18 -1.08 0.00 0.00 178.44 178.00 3fb1 n LEU 108 N -4.03 0.59 0.00 1.67 4.77 0.07 -4.88 117.00 115.20 3fb1 n LEU 108 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3fb1 n LEU 108 Cb 0.46 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3fb1 n LEU 108 CO 0.40 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3fb1 n GLY 109 N 0.58 1.22 3.75 -0.72 0.00 -0.78 -3.93 105.19 105.31 3fb1 n GLY 109 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3fb1 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 110 N -2.00 2.29 -0.05 1.61 1.01 -0.02 -4.28 120.40 118.96 3fb1 s VAL 110 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.29 3fb1 s VAL 110 Cb 0.00 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 3fb1 s VAL 110 CO 0.00 0.04 0.06 0.29 0.00 0.00 0.00 175.10 175.49 3fb1 n LYS 111 N 2.09 2.25 -4.45 2.72 4.01 0.19 -4.64 118.16 120.32 3fb1 n LYS 111 Ca 0.07 -0.02 -0.23 0.00 -0.51 0.00 0.00 58.31 57.62 3fb1 n LYS 111 Cb 0.39 -1.17 -0.16 0.00 -0.51 0.00 0.00 35.03 33.58 3fb1 n LYS 111 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3fb1 s ILE 112 N -2.24 0.94 -0.18 -0.18 1.01 -1.02 -0.48 121.20 119.05 3fb1 s ILE 112 Ca -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 3fb1 s ILE 112 Cb 0.03 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3fb1 s ILE 112 CO 0.27 0.31 -0.01 -0.22 0.00 0.00 0.00 174.94 175.29 3fb1 s LEU 113 N 0.71 3.30 -0.13 2.97 2.96 0.21 -0.44 118.68 128.26 3fb1 s LEU 113 Ca -0.13 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3fb1 s LEU 113 Cb -0.15 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3fb1 s LEU 113 CO 0.03 0.12 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.00 3fb1 s MET 114 N 0.66 3.35 -0.03 1.98 -1.94 0.15 -0.72 119.30 122.75 3fb1 s MET 114 Ca -0.01 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.31 3fb1 s MET 114 Cb -0.14 -2.62 -0.00 0.00 2.01 0.00 0.00 34.83 34.08 3fb1 s MET 114 CO 0.02 0.19 -0.14 0.08 -0.01 0.00 0.00 175.02 175.16 3fb1 s VAL 115 N 0.41 1.19 0.14 -6.03 1.01 0.71 -0.62 120.40 117.20 3fb1 s VAL 115 Ca -0.11 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.36 3fb1 s VAL 115 Cb -0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3fb1 s VAL 115 CO 0.05 0.35 -0.21 -0.94 0.00 0.00 0.00 175.10 174.35 3fb1 s SER 116 N -0.03 2.74 0.21 3.32 1.04 0.03 -0.55 113.70 120.45 3fb1 s SER 116 Ca -0.01 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 3fb1 s SER 116 Cb -0.09 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 3fb1 s SER 116 CO 0.01 0.04 0.38 0.54 0.98 0.00 0.00 173.24 175.19 3fb1 s ASN 117 N -2.27 -0.04 -0.23 7.02 2.20 -0.56 -1.71 114.94 119.35 3fb1 s ASN 117 Ca 0.12 -0.89 -0.10 0.00 -0.94 0.00 0.00 52.86 51.04 3fb1 s ASN 117 Cb -0.08 0.51 -0.05 0.00 -2.00 0.00 0.00 41.25 39.63 3fb1 s ASN 117 CO 0.06 -1.01 0.16 0.00 -2.94 0.00 0.00 177.10 173.36 3fb1 s ALA 118 N -3.99 3.63 0.14 3.54 0.00 -1.26 -0.40 121.76 123.42 3fb1 s ALA 118 Ca 0.20 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3fb1 s ALA 118 Cb 0.01 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3fb1 s ALA 118 CO 0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 175.76 175.59 3fb1 s ALA 119 N 0.83 1.59 0.24 0.00 0.00 0.19 -4.75 121.76 119.86 3fb1 s ALA 119 Ca 0.08 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 3fb1 s ALA 119 Cb -0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 3fb1 s ALA 119 CO 0.02 0.05 0.93 0.20 0.00 0.00 0.00 175.76 176.96 3fb1 s GLY 120 N -2.78 3.07 -0.36 0.00 0.00 0.13 -1.23 107.32 106.15 3fb1 s GLY 120 Ca 0.13 0.59 -0.21 0.00 0.00 0.00 0.00 44.72 45.23 3fb1 s GLY 120 CO 0.03 1.14 0.66 -0.32 0.00 0.00 0.00 173.10 174.61 3fb1 s GLY 121 N -1.22 1.73 -0.22 0.20 0.00 0.21 -1.15 107.32 106.87 3fb1 s GLY 121 Ca 0.41 -0.82 -0.19 0.00 0.00 0.00 0.00 44.72 44.13 3fb1 s GLY 121 CO 0.31 1.53 0.07 1.04 0.00 0.00 0.00 173.10 176.05 3fb1 n LEU 122 N 6.09 1.87 -4.64 0.66 4.77 0.50 -1.18 117.00 125.08 3fb1 n LEU 122 Ca -0.01 0.42 -0.51 0.00 -0.03 0.00 0.00 56.01 55.89 3fb1 n LEU 122 Cb 0.48 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 3fb1 n LEU 122 CO 0.50 0.26 1.10 -3.20 -1.33 0.00 0.00 177.39 174.71 3fb1 n ASN 123 N -4.42 2.31 0.00 -1.43 2.85 -0.66 -4.80 115.26 109.11 3fb1 n ASN 123 Ca -0.34 1.09 0.10 0.00 -0.11 0.00 0.00 54.58 55.32 3fb1 n ASN 123 Cb 0.68 -1.26 0.47 0.00 1.24 0.00 0.00 39.78 40.91 3fb1 n ASN 123 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3fb1 n ARG 124 N 3.56 0.08 0.00 1.20 5.12 -1.26 -1.98 116.66 123.38 3fb1 n ARG 124 Ca 0.20 0.13 0.13 0.00 -1.93 0.00 0.00 57.85 56.37 3fb1 n ARG 124 Cb 0.22 -1.50 0.34 0.00 -1.16 0.00 0.00 32.46 30.36 3fb1 n ARG 124 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3fb1 n SER 125 N -1.44 0.69 -4.82 0.55 3.41 -1.26 -4.91 113.62 105.83 3fb1 n SER 125 Ca 0.06 -0.50 -0.33 0.00 -0.26 0.00 0.00 58.87 57.84 3fb1 n SER 125 Cb 0.22 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 3fb1 n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fb1 s LEU 126 N -2.76 3.85 0.15 1.04 1.43 -0.84 -5.08 118.68 116.48 3fb1 s LEU 126 Ca 0.18 1.70 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 3fb1 s LEU 126 Cb 0.18 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3fb1 s LEU 126 CO 0.60 -0.48 -0.18 -0.54 0.23 0.00 0.00 176.35 175.99 3fb1 s LYS 127 N -3.38 1.21 0.21 1.70 1.02 -1.26 -5.05 119.74 114.19 3fb1 s LYS 127 Ca 0.62 -1.35 -0.31 0.00 0.02 0.00 0.00 55.97 54.95 3fb1 s LYS 127 Cb -0.10 -1.24 -0.15 0.00 -0.52 0.00 0.00 37.83 35.81 3fb1 s LYS 127 CO 0.18 0.25 1.05 1.28 -0.92 0.00 0.00 175.35 177.20 3fb1 n LEU 128 N 0.41 1.35 0.00 3.17 4.77 -1.26 -0.99 117.00 124.45 3fb1 n LEU 128 Ca -0.14 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3fb1 n LEU 128 Cb 0.57 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 3fb1 n LEU 128 CO 0.28 -1.49 0.00 0.61 -1.33 0.00 0.00 177.39 175.46 3fb1 n GLY 129 N 1.74 1.51 3.74 -0.72 0.00 0.46 -5.00 105.19 106.93 3fb1 n GLY 129 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3fb1 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fb1 s ASP 130 N -3.18 4.72 -0.20 1.61 1.11 -0.16 -4.73 116.67 115.85 3fb1 s ASP 130 Ca 0.00 2.31 -0.08 0.00 0.18 0.00 0.00 52.55 54.97 3fb1 s ASP 130 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3fb1 s ASP 130 CO 0.00 -1.90 0.07 -0.36 1.18 0.00 0.00 175.17 174.16 3fb1 s PHE 131 N -1.89 3.22 -0.37 4.23 2.99 0.44 -0.78 117.98 125.84 3fb1 s PHE 131 Ca 0.74 0.01 -0.00 0.00 0.00 0.00 0.00 56.93 57.68 3fb1 s PHE 131 Cb -0.28 -2.12 0.10 0.00 0.00 0.00 0.00 43.02 40.71 3fb1 s PHE 131 CO 0.40 0.06 0.12 0.08 -0.00 0.00 0.00 175.22 175.87 3fb1 s VAL 132 N 0.65 2.90 0.18 -0.44 1.01 0.23 0.46 120.40 125.38 3fb1 s VAL 132 Ca 0.04 -2.04 -0.32 0.00 0.00 0.00 0.00 61.98 59.66 3fb1 s VAL 132 Cb -0.13 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 3fb1 s VAL 132 CO 0.02 -0.56 1.60 -0.63 0.00 0.00 0.00 175.10 175.52 3fb1 s ILE 133 N 1.08 2.50 -0.03 2.22 1.01 0.98 0.17 121.20 129.14 3fb1 s ILE 133 Ca 0.07 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 3fb1 s ILE 133 Cb -0.21 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3fb1 s ILE 133 CO -0.05 0.03 1.19 -0.76 0.00 0.00 0.00 174.94 175.34 3fb1 s LEU 134 N 1.11 4.30 0.00 2.97 1.43 0.57 -1.37 118.68 127.70 3fb1 s LEU 134 Ca 0.71 1.84 0.13 0.00 -1.03 0.00 0.00 54.13 55.77 3fb1 s LEU 134 Cb -0.45 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 3fb1 s LEU 134 CO 0.32 -0.54 0.61 2.29 0.23 0.00 0.00 176.35 179.25 3fb1 n LYS 135 N 4.88 2.53 -3.63 1.70 2.85 -0.76 -4.65 118.16 121.08 3fb1 n LYS 135 Ca 0.10 -0.27 -0.02 0.00 -1.05 0.00 0.00 58.31 57.07 3fb1 n LYS 135 Cb 0.47 -1.12 -0.01 0.00 -0.65 0.00 0.00 35.03 33.71 3fb1 n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3fb1 s ASP 136 N -1.97 -0.15 0.05 -5.58 -1.08 -1.25 -4.47 116.67 102.23 3fb1 s ASP 136 Ca 0.07 -0.15 -0.02 0.00 -0.52 0.00 0.00 52.55 51.93 3fb1 s ASP 136 Cb 0.10 0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.79 3fb1 s ASP 136 CO 0.44 -0.47 0.00 -1.38 0.52 0.00 0.00 175.17 174.28 3fb1 s HIS 137 N -2.72 0.46 -0.24 -5.34 -3.43 -1.26 -1.29 115.29 101.48 3fb1 s HIS 137 Ca 0.11 -0.98 0.02 0.00 -0.80 0.00 0.00 55.06 53.41 3fb1 s HIS 137 Cb 0.01 -0.34 0.04 0.00 -1.43 0.00 0.00 32.58 30.87 3fb1 s HIS 137 CO -0.03 -0.39 -0.13 0.42 -2.00 0.00 0.00 174.74 172.61 3fb1 s ILE 138 N -3.80 2.27 -1.18 -5.38 1.01 0.75 -4.89 121.20 109.98 3fb1 s ILE 138 Ca 0.06 -1.34 -0.08 0.00 0.00 0.00 0.00 60.65 59.29 3fb1 s ILE 138 Cb 0.07 -2.20 0.23 0.00 0.01 0.00 0.00 42.46 40.57 3fb1 s ILE 138 CO -0.10 0.17 1.58 0.00 0.00 0.00 0.00 174.94 176.59 3fb1 n TYR 139 N 4.53 3.25 -0.21 3.97 -0.00 -1.26 -1.63 117.16 125.80 3fb1 n TYR 139 Ca -0.16 -2.93 -0.02 0.00 -0.00 0.00 0.00 57.90 54.79 3fb1 n TYR 139 Cb 0.45 -1.70 0.05 0.00 -0.00 0.00 0.00 39.34 38.14 3fb1 n TYR 139 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3fb1 h LEU 140 N 7.08 -0.72 -1.59 2.98 3.38 -1.96 0.50 115.31 124.98 3fb1 h LEU 140 Ca 0.29 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 3fb1 h LEU 140 Cb 0.69 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3fb1 h LEU 140 CO 1.40 -0.24 -0.04 -0.65 0.09 0.00 0.00 178.44 179.00 3fb1 h PRO 141 N -0.04 0.21 -0.11 1.13 0.11 -1.89 -1.17 132.00 130.24 3fb1 h PRO 141 Ca 0.29 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3fb1 h PRO 141 Cb 0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3fb1 h PRO 141 CO -0.66 0.27 0.01 0.78 -0.21 0.00 0.00 178.00 178.19 3fb1 h GLY 142 N 0.53 0.21 1.68 -0.55 0.00 -0.27 0.86 103.07 105.52 3fb1 h GLY 142 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3fb1 h GLY 142 CO 0.01 0.14 0.06 1.41 0.00 0.00 0.00 176.54 178.16 3fb1 h LEU 143 N -0.07 0.38 -2.09 3.11 3.38 -0.67 -2.62 115.31 116.73 3fb1 h LEU 143 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fb1 h LEU 143 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fb1 h LEU 143 CO 0.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.54 3fb1 n GLY 144 N -1.14 1.98 1.72 0.83 0.00 -0.47 -4.86 105.19 103.26 3fb1 n GLY 144 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3fb1 n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fb1 n LEU 145 N 0.34 -0.08 -1.87 0.99 7.94 -0.94 -4.94 117.00 118.44 3fb1 n LEU 145 Ca 0.13 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.85 3fb1 n LEU 145 Cb 0.65 -0.43 0.05 0.00 0.53 0.00 0.00 43.42 44.21 3fb1 n LEU 145 CO 0.15 0.00 0.19 0.59 -1.11 0.00 0.00 177.39 177.21 3fb1 n ASN 146 N 1.72 4.30 -4.73 1.96 3.02 0.29 -5.00 115.26 116.82 3fb1 n ASN 146 Ca 0.00 -3.66 -0.42 0.00 -0.03 0.00 0.00 54.58 50.47 3fb1 n ASN 146 Cb 0.04 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 3fb1 n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3fb1 s ASN 147 N -3.55 6.63 0.61 6.41 3.84 -1.22 -4.17 114.94 123.50 3fb1 s ASN 147 Ca 0.48 2.61 0.28 0.00 0.21 0.00 0.00 52.86 56.44 3fb1 s ASN 147 Cb 0.40 -2.61 1.43 0.00 -0.55 0.00 0.00 41.25 39.92 3fb1 s ASN 147 CO 0.02 -0.76 1.83 -0.29 -2.79 0.00 0.00 177.10 175.12 3fb1 h ILE 148 N 3.83 0.25 -0.00 -5.21 2.10 -1.93 -0.48 117.51 116.06 3fb1 h ILE 148 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3fb1 h ILE 148 Cb 1.21 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 3fb1 h ILE 148 CO 0.85 0.00 -0.25 0.18 -1.08 0.00 0.00 178.15 177.85 3fb1 n LEU 149 N -3.48 0.66 -4.62 2.19 4.77 -1.26 -4.78 117.00 110.48 3fb1 n LEU 149 Ca 0.07 -0.06 -0.49 0.00 -0.03 0.00 0.00 56.01 55.50 3fb1 n LEU 149 Cb 0.68 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3fb1 n LEU 149 CO 0.24 0.13 1.01 0.52 -1.33 0.00 0.00 177.39 177.96 3fb1 n VAL 150 N -1.00 0.08 0.00 4.08 0.31 -0.19 -4.69 118.33 116.92 3fb1 n VAL 150 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3fb1 n VAL 150 Cb 0.32 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3fb1 n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fb1 n GLY 151 N 2.84 0.85 3.68 2.92 0.00 -1.26 -5.02 105.19 109.20 3fb1 n GLY 151 Ca 0.17 -2.28 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 3fb1 n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fb1 n PRO 152 N -1.04 2.23 -2.21 1.61 -0.02 -1.26 -4.91 135.00 129.39 3fb1 n PRO 152 Ca 0.00 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3fb1 n PRO 152 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 30.90 3fb1 n PRO 152 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fb1 s ASN 153 N 0.77 6.90 -0.90 2.55 2.47 -1.26 -4.95 114.94 120.53 3fb1 s ASN 153 Ca 0.75 2.46 -0.18 0.00 0.42 0.00 0.00 52.86 56.30 3fb1 s ASN 153 Cb -0.64 -2.62 0.14 0.00 -1.45 0.00 0.00 41.25 36.68 3fb1 s ASN 153 CO 0.41 -0.50 1.07 -1.10 -3.72 0.00 0.00 177.10 173.26 3fb1 s GLN 154 N -0.59 3.56 0.46 0.43 -1.52 -1.26 -4.87 119.66 115.87 3fb1 s GLN 154 Ca 0.54 -1.79 0.13 0.00 -1.95 0.00 0.00 55.36 52.29 3fb1 s GLN 154 Cb -0.37 -4.82 1.07 0.00 -0.22 0.00 0.00 33.01 28.68 3fb1 s GLN 154 CO 0.42 -1.71 2.06 1.49 -0.25 0.00 0.00 175.29 177.29 3fb1 h GLU 155 N 8.76 0.29 -0.21 2.91 4.57 -1.93 0.13 114.58 129.11 3fb1 h GLU 155 Ca 0.12 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3fb1 h GLU 155 Cb 1.03 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3fb1 h GLU 155 CO 1.07 0.19 0.21 0.00 -1.18 0.00 0.00 179.01 179.30 3fb1 h ALA 156 N 1.81 1.91 0.01 2.92 0.00 -2.01 -2.78 119.26 121.13 3fb1 h ALA 156 Ca 0.14 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.69 3fb1 h ALA 156 Cb 0.19 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3fb1 h ALA 156 CO -0.03 -0.32 -2.23 1.19 0.00 0.00 0.00 179.25 177.86 3fb1 n PHE 157 N -3.93 0.33 -4.03 0.00 3.72 0.44 -5.06 117.46 108.93 3fb1 n PHE 157 Ca 0.02 0.10 0.04 0.00 -0.05 0.00 0.00 57.45 57.56 3fb1 n PHE 157 Cb 0.34 -1.05 0.01 0.00 -0.94 0.00 0.00 39.48 37.84 3fb1 n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fb1 n GLY 158 N 1.84 0.16 3.89 1.37 0.00 -1.02 -3.65 105.19 107.78 3fb1 n GLY 158 Ca -0.32 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 3fb1 n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fb1 s THR 159 N -2.01 4.48 0.14 2.61 -1.32 -1.26 -4.00 115.64 114.28 3fb1 s THR 159 Ca 0.27 0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 61.04 3fb1 s THR 159 Cb -0.00 -3.76 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 3fb1 s THR 159 CO -0.02 -0.89 1.79 -0.09 -2.21 0.00 0.00 174.62 173.21 3fb1 h ARG 160 N -0.15 0.37 -3.34 7.08 9.65 -1.96 -3.35 114.38 122.68 3fb1 h ARG 160 Ca -0.45 -0.02 -0.66 0.00 -1.10 0.00 0.00 59.98 57.74 3fb1 h ARG 160 Cb 1.21 -0.08 -0.39 0.00 -1.39 0.00 0.00 29.97 29.32 3fb1 h ARG 160 CO 0.62 0.25 -0.43 -0.06 2.80 0.00 0.00 179.97 183.14 3fb1 s PHE 161 N -6.17 3.49 0.11 2.20 0.08 -1.26 -5.00 117.98 111.42 3fb1 s PHE 161 Ca -0.13 -3.07 -0.31 0.00 0.12 0.00 0.00 56.93 53.54 3fb1 s PHE 161 Cb 0.10 -2.98 -0.07 0.00 -0.57 0.00 0.00 43.02 39.50 3fb1 s PHE 161 CO 0.71 -0.71 1.26 -1.25 -0.10 0.00 0.00 175.22 175.12 3fb1 s PRO 162 N -0.77 4.41 0.67 0.24 0.04 -1.26 -5.00 135.00 133.33 3fb1 s PRO 162 Ca 0.21 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 3fb1 s PRO 162 Cb -0.15 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3fb1 s PRO 162 CO -0.08 -0.28 1.15 0.00 0.04 0.00 0.00 177.00 177.83 3fb1 s ALA 163 N 0.83 2.38 -0.37 8.56 0.00 -1.26 -4.95 121.76 126.95 3fb1 s ALA 163 Ca 0.59 0.71 0.06 0.00 0.00 0.00 0.00 51.96 53.32 3fb1 s ALA 163 Cb -0.32 -3.38 0.44 0.00 0.00 0.00 0.00 23.12 19.86 3fb1 s ALA 163 CO 0.31 -1.41 1.16 1.28 0.00 0.00 0.00 175.76 177.09 3fb1 n LEU 164 N -2.35 4.84 -4.73 0.00 4.77 -1.26 -4.94 117.00 113.32 3fb1 n LEU 164 Ca 0.12 -4.98 -0.41 0.00 -0.03 0.00 0.00 56.01 50.71 3fb1 n LEU 164 Cb 0.51 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3fb1 n LEU 164 CO 0.47 2.17 0.58 -0.55 -1.33 0.00 0.00 177.39 178.73 3fb1 s SER 165 N -3.56 7.33 -1.29 -1.43 0.15 -1.26 -3.52 113.70 110.13 3fb1 s SER 165 Ca 0.50 1.59 -0.01 0.00 0.70 0.00 0.00 55.95 58.73 3fb1 s SER 165 Cb 0.41 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 3fb1 s SER 165 CO -0.08 -0.09 0.07 -3.20 1.20 0.00 0.00 173.24 171.15 3fb1 n ASN 166 N 3.14 -4.53 -0.35 5.45 5.15 -1.26 -4.83 115.26 118.02 3fb1 n ASN 166 Ca 0.01 0.07 0.05 0.00 -0.60 0.00 0.00 54.58 54.12 3fb1 n ASN 166 Cb 0.50 -3.80 0.21 0.00 -0.53 0.00 0.00 39.78 36.16 3fb1 n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fb1 h ALA 167 N 1.00 1.43 -2.47 5.20 0.00 -1.89 -3.01 119.26 119.52 3fb1 h ALA 167 Ca -0.37 0.01 -0.76 0.00 0.00 0.00 0.00 54.91 53.80 3fb1 h ALA 167 Cb 1.27 -0.22 -0.23 0.00 0.00 0.00 0.00 17.79 18.61 3fb1 h ALA 167 CO 0.43 0.25 0.25 0.71 0.00 0.00 0.00 179.25 180.90 3fb1 s TYR 168 N -5.99 3.50 -0.49 0.00 1.51 -1.26 -4.10 117.35 110.52 3fb1 s TYR 168 Ca -0.12 -1.70 -0.45 0.00 -1.01 0.00 0.00 57.07 53.79 3fb1 s TYR 168 Cb 0.21 -3.95 -0.19 0.00 -0.11 0.00 0.00 41.96 37.92 3fb1 s TYR 168 CO 0.80 -1.14 1.90 -3.47 -1.11 0.00 0.00 175.55 172.53 3fb1 n ASP 169 N 4.91 1.03 -0.02 2.29 2.03 -0.72 -4.79 116.55 121.28 3fb1 n ASP 169 Ca 0.12 0.90 0.04 0.00 0.52 0.00 0.00 54.79 56.37 3fb1 n ASP 169 Cb 0.47 -0.91 0.41 0.00 -0.72 0.00 0.00 41.12 40.36 3fb1 n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3fb1 h ARG 170 N 7.31 0.58 -0.31 -0.67 0.11 -1.91 -0.58 114.38 118.91 3fb1 h ARG 170 Ca -0.26 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.70 3fb1 h ARG 170 Cb 1.39 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 3fb1 h ARG 170 CO 1.04 0.39 -0.12 -0.44 0.10 0.00 0.00 179.97 180.93 3fb1 h ASP 171 N 0.59 0.65 -0.74 0.08 3.32 -1.98 0.15 116.42 118.49 3fb1 h ASP 171 Ca 0.16 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3fb1 h ASP 171 Cb -0.06 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3fb1 h ASP 171 CO -0.03 0.89 0.36 -0.07 -1.72 0.00 0.00 179.24 178.66 3fb1 h LEU 172 N 0.39 0.99 -0.43 1.55 3.38 -1.73 -0.22 115.31 119.25 3fb1 h LEU 172 Ca 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3fb1 h LEU 172 Cb 0.64 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3fb1 h LEU 172 CO 0.04 0.84 0.10 0.03 0.09 0.00 0.00 178.44 179.54 3fb1 h ARG 173 N 1.08 0.68 -0.47 1.13 3.08 -0.84 0.18 114.38 119.23 3fb1 h ARG 173 Ca 0.26 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3fb1 h ARG 173 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3fb1 h ARG 173 CO -0.03 0.70 0.27 -0.22 -1.07 0.00 0.00 179.97 179.62 3fb1 h LYS 174 N 0.55 0.53 -0.51 0.04 3.64 -0.32 -0.79 116.57 119.71 3fb1 h LYS 174 Ca 0.13 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3fb1 h LYS 174 Cb 0.32 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3fb1 h LYS 174 CO 0.00 0.35 0.18 1.25 -2.27 0.00 0.00 179.45 178.96 3fb1 h LEU 175 N 0.55 0.73 -1.11 5.20 5.85 -0.82 -0.42 115.31 125.28 3fb1 h LEU 175 Ca 0.19 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fb1 h LEU 175 Cb 0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3fb1 h LEU 175 CO -0.09 0.72 0.30 0.00 -0.34 0.00 0.00 178.44 179.04 3fb1 h ALA 176 N 1.03 1.31 -0.05 1.25 0.00 -0.24 -0.30 119.26 122.25 3fb1 h ALA 176 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3fb1 h ALA 176 Cb 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fb1 h ALA 176 CO -0.01 0.53 -0.15 0.28 0.00 0.00 0.00 179.25 179.91 3fb1 h VAL 177 N 0.93 1.44 -0.59 0.00 2.07 -0.87 -1.42 116.25 117.80 3fb1 h VAL 177 Ca 0.23 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.31 3fb1 h VAL 177 Cb 0.11 2.32 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 3fb1 h VAL 177 CO -0.03 0.42 0.16 1.56 0.02 0.00 0.00 177.57 179.70 3fb1 h GLN 178 N -0.34 0.29 -0.54 1.57 4.20 -0.80 0.20 115.11 119.70 3fb1 h GLN 178 Ca -0.00 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3fb1 h GLN 178 Cb 0.76 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3fb1 h GLN 178 CO 0.03 0.19 0.08 0.28 -0.67 0.00 0.00 178.83 178.74 3fb1 h VAL 179 N 0.30 1.24 -0.23 -0.54 2.07 -1.01 0.12 116.25 118.21 3fb1 h VAL 179 Ca 0.30 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3fb1 h VAL 179 Cb 0.42 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3fb1 h VAL 179 CO -0.36 0.34 0.07 0.00 0.02 0.00 0.00 177.57 177.64 3fb1 h ALA 180 N 1.26 0.30 -0.41 1.67 0.00 -0.01 -2.46 119.26 119.61 3fb1 h ALA 180 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fb1 h ALA 180 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fb1 h ALA 180 CO 0.01 -0.08 0.20 0.93 0.00 0.00 0.00 179.25 180.31 3fb1 h GLU 181 N 0.20 0.59 0.00 0.00 5.08 -0.26 -1.80 114.58 118.39 3fb1 h GLU 181 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fb1 h GLU 181 Cb 0.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3fb1 h GLU 181 CO -0.00 0.51 0.00 0.93 -1.00 0.00 0.00 179.01 179.45 3fb1 h GLU 182 N 0.53 0.00 -0.32 2.33 5.08 -0.72 -2.26 114.58 119.21 3fb1 h GLU 182 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3fb1 h GLU 182 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3fb1 h GLU 182 CO -0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 3fb1 n ASN 183 N -2.47 3.27 0.00 1.42 4.13 -0.74 -4.97 115.26 115.90 3fb1 n ASN 183 Ca -0.01 -2.34 0.00 0.00 1.68 0.00 0.00 54.58 53.92 3fb1 n ASN 183 Cb 0.12 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 3fb1 n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fb1 n GLY 184 N 0.19 0.49 0.42 7.41 0.00 -0.85 -4.89 105.19 107.95 3fb1 n GLY 184 Ca 0.15 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.97 3fb1 n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fb1 n PHE 185 N -2.97 0.00 -0.08 1.61 1.16 -0.82 -4.78 117.46 111.58 3fb1 n PHE 185 Ca 0.00 -0.75 0.19 0.00 -1.87 0.00 0.00 57.45 55.02 3fb1 n PHE 185 Cb 0.00 -0.14 0.62 0.00 -1.61 0.00 0.00 39.48 38.35 3fb1 n PHE 185 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3fb1 h GLY 186 N 0.26 0.27 2.00 4.97 0.00 -1.66 -1.22 103.07 107.70 3fb1 h GLY 186 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3fb1 h GLY 186 CO 0.01 0.02 0.00 1.16 0.00 0.00 0.00 176.54 177.73 3fb1 n ASN 187 N -4.41 0.60 0.14 0.19 6.94 -1.26 -1.71 115.26 115.75 3fb1 n ASN 187 Ca 0.12 0.66 0.12 0.00 -0.02 0.00 0.00 54.58 55.46 3fb1 n ASN 187 Cb 0.61 -0.78 0.08 0.00 -2.36 0.00 0.00 39.78 37.33 3fb1 n ASN 187 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3fb1 h LEU 188 N 0.00 0.00 -9.08 -4.53 3.38 -1.59 -3.47 115.31 100.02 3fb1 h LEU 188 Ca 0.00 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.34 3fb1 h LEU 188 Cb 0.32 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 3fb1 h LEU 188 CO 0.00 0.01 -0.21 -0.69 0.09 0.00 0.00 178.44 177.65 3fb1 s VAL 189 N -3.29 5.19 0.42 1.22 1.01 -0.69 -0.42 120.40 123.85 3fb1 s VAL 189 Ca 0.03 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.74 3fb1 s VAL 189 Cb 0.09 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 3fb1 s VAL 189 CO 0.74 0.22 0.04 -1.00 0.00 0.00 0.00 175.10 175.10 3fb1 s HIS 190 N 1.54 2.44 0.07 5.22 3.76 0.17 -4.97 115.29 123.53 3fb1 s HIS 190 Ca 0.18 -0.70 0.07 0.00 -0.15 0.00 0.00 55.06 54.46 3fb1 s HIS 190 Cb -0.15 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 3fb1 s HIS 190 CO 0.08 0.37 -0.19 -0.65 -0.85 0.00 0.00 174.74 173.51 3fb1 s GLN 191 N -3.77 1.12 -0.07 1.40 -0.21 -1.26 -0.01 119.66 116.86 3fb1 s GLN 191 Ca 0.32 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 3fb1 s GLN 191 Cb 0.08 -1.27 0.09 0.00 1.00 0.00 0.00 33.01 32.92 3fb1 s GLN 191 CO 0.17 0.30 1.29 0.41 -2.12 0.00 0.00 175.29 175.34 3fb1 n GLY 192 N 1.46 0.13 3.68 3.09 0.00 -0.47 -4.90 105.19 108.17 3fb1 n GLY 192 Ca -0.19 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3fb1 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 193 N -2.01 5.12 -0.15 1.61 1.01 -1.26 -1.82 120.40 122.91 3fb1 s VAL 193 Ca 0.31 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 63.10 3fb1 s VAL 193 Cb -0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3fb1 s VAL 193 CO -0.02 0.21 0.29 -0.47 0.00 0.00 0.00 175.10 175.11 3fb1 s TYR 194 N 1.41 3.49 -0.07 5.22 6.14 -0.41 0.40 117.35 133.53 3fb1 s TYR 194 Ca 0.24 0.62 0.02 0.00 0.64 0.00 0.00 57.07 58.60 3fb1 s TYR 194 Cb -0.15 -2.31 -0.03 0.00 0.42 0.00 0.00 41.96 39.89 3fb1 s TYR 194 CO 0.10 0.30 -0.12 0.54 0.64 0.00 0.00 175.55 177.00 3fb1 s VAL 195 N 0.25 3.22 -0.21 3.14 0.11 0.19 -0.17 120.40 126.93 3fb1 s VAL 195 Ca 0.17 -0.65 -0.18 0.00 -2.93 0.00 0.00 61.98 58.38 3fb1 s VAL 195 Cb -0.13 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 3fb1 s VAL 195 CO 0.05 0.58 0.52 -0.32 -3.33 0.00 0.00 175.10 172.60 3fb1 s MET 196 N -0.59 4.18 -0.34 1.54 1.75 -0.65 -2.20 119.30 122.99 3fb1 s MET 196 Ca 0.08 0.42 -0.16 0.00 -1.25 0.00 0.00 55.69 54.78 3fb1 s MET 196 Cb -0.11 -3.57 -0.01 0.00 2.84 0.00 0.00 34.83 33.98 3fb1 s MET 196 CO 0.01 -0.17 0.43 1.21 -0.65 0.00 0.00 175.02 175.85 3fb1 s ASN 197 N 1.19 6.24 0.41 1.11 2.47 0.12 -3.97 114.94 122.51 3fb1 s ASN 197 Ca 0.24 -0.14 0.23 0.00 0.42 0.00 0.00 52.86 53.61 3fb1 s ASN 197 Cb -0.15 -2.23 1.24 0.00 -1.45 0.00 0.00 41.25 38.66 3fb1 s ASN 197 CO 0.10 -0.40 1.69 1.23 -3.72 0.00 0.00 177.10 176.00 3fb1 h GLY 198 N 8.89 1.37 -0.02 1.21 0.00 -1.90 -3.33 103.07 109.28 3fb1 h GLY 198 Ca -0.29 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fb1 h GLY 198 CO 0.73 -0.30 -0.00 0.61 0.00 0.00 0.00 176.54 177.57 3fb1 n GLY 199 N -1.47 -1.74 1.02 4.60 0.00 -1.26 -3.84 105.19 102.49 3fb1 n GLY 199 Ca 0.31 -1.29 0.10 0.00 0.00 0.00 0.00 46.02 45.14 3fb1 n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fb1 n PRO 200 N -0.66 2.29 -2.00 1.61 -0.04 -1.26 -4.81 135.00 130.13 3fb1 n PRO 200 Ca 0.00 -1.99 -0.39 0.00 -0.04 0.00 0.00 63.50 61.07 3fb1 n PRO 200 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3fb1 n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fb1 s TYR 202 N -1.26 2.41 0.09 0.00 4.12 -1.26 -4.97 117.35 116.47 3fb1 s TYR 202 Ca 0.59 1.60 -0.30 0.00 0.02 0.00 0.00 57.07 58.98 3fb1 s TYR 202 Cb -0.39 -3.10 -0.05 0.00 -1.52 0.00 0.00 41.96 36.89 3fb1 s TYR 202 CO 0.50 -1.98 0.98 -1.21 0.02 0.00 0.00 175.55 173.86 3fb1 s GLU 203 N -4.84 4.65 0.86 -0.62 8.01 -1.26 -5.03 118.70 120.48 3fb1 s GLU 203 Ca 0.62 1.47 -0.11 0.00 0.01 0.00 0.00 54.97 56.96 3fb1 s GLU 203 Cb -0.18 -3.39 0.11 0.00 -4.31 0.00 0.00 34.13 26.36 3fb1 s GLU 203 CO 0.56 0.13 1.10 0.95 0.01 0.00 0.00 175.26 178.02 3fb1 s THR 204 N 0.25 2.74 0.31 3.63 -4.23 -1.26 -4.75 115.64 112.33 3fb1 s THR 204 Ca 0.49 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 3fb1 s THR 204 Cb -0.23 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.34 3fb1 s THR 204 CO 0.30 -0.31 1.91 -0.65 -0.54 0.00 0.00 174.62 175.33 3fb1 h PRO 205 N -1.53 0.93 -0.57 3.99 0.11 -1.83 0.12 132.00 133.22 3fb1 h PRO 205 Ca -0.46 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3fb1 h PRO 205 Cb 1.26 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3fb1 h PRO 205 CO 0.49 0.62 0.04 0.00 -0.21 0.00 0.00 178.00 178.93 3fb1 h ALA 206 N 1.53 0.77 -0.53 -0.75 0.00 -1.86 0.69 119.26 119.11 3fb1 h ALA 206 Ca 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3fb1 h ALA 206 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fb1 h ALA 206 CO -0.15 0.57 0.14 0.93 0.00 0.00 0.00 179.25 180.74 3fb1 h GLU 207 N 0.88 0.85 -0.59 0.00 5.08 -1.70 -0.23 114.58 118.88 3fb1 h GLU 207 Ca 0.17 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3fb1 h GLU 207 Cb 0.50 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3fb1 h GLU 207 CO 0.02 0.80 0.23 0.00 -1.00 0.00 0.00 179.01 179.06 3fb1 h THR 209 N 0.81 1.04 -0.59 0.00 2.02 -0.57 0.41 112.91 116.04 3fb1 h THR 209 Ca 0.19 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3fb1 h THR 209 Cb 0.22 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3fb1 h THR 209 CO -0.01 0.06 0.36 -0.03 0.37 0.00 0.00 175.52 176.27 3fb1 h MET 210 N 0.31 0.70 -0.57 6.66 -1.53 -0.71 -0.67 114.93 119.12 3fb1 h MET 210 Ca 0.10 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.28 3fb1 h MET 210 Cb -0.02 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.85 3fb1 h MET 210 CO -0.04 0.46 0.22 -0.07 0.14 0.00 0.00 176.91 177.63 3fb1 h LEU 211 N 0.72 0.79 -0.25 3.39 3.38 0.31 -0.34 115.31 123.31 3fb1 h LEU 211 Ca 0.24 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3fb1 h LEU 211 Cb 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3fb1 h LEU 211 CO -0.09 0.75 0.12 0.25 0.09 0.00 0.00 178.44 179.56 3fb1 h LEU 212 N 0.78 0.17 -1.02 1.67 5.85 0.12 -1.39 115.31 121.49 3fb1 h LEU 212 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3fb1 h LEU 212 Cb 0.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3fb1 h LEU 212 CO -0.01 0.13 0.00 0.78 -0.34 0.00 0.00 178.44 179.00 3fb1 h ASN 213 N 0.25 0.00 0.32 1.25 2.35 -0.82 -0.50 115.58 118.43 3fb1 h ASN 213 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3fb1 h ASN 213 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3fb1 h ASN 213 CO -0.08 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.93 3fb1 n MET 214 N -2.65 0.50 -0.54 0.81 2.81 -0.16 -4.86 117.12 113.02 3fb1 n MET 214 Ca 0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3fb1 n MET 214 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3fb1 n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fb1 n GLY 215 N 0.75 0.68 3.80 3.03 0.00 -0.20 -5.07 105.19 108.19 3fb1 n GLY 215 Ca 0.14 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3fb1 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fb1 n ASP 217 N 1.20 2.13 -4.12 0.00 8.00 0.16 -4.20 116.55 119.72 3fb1 n ASP 217 Ca -0.05 -0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 3fb1 n ASP 217 Cb 0.50 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 3fb1 n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fb1 s VAL 218 N -2.41 0.44 0.01 2.53 -7.23 -0.79 -0.37 120.40 112.58 3fb1 s VAL 218 Ca -0.24 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 3fb1 s VAL 218 Cb 0.07 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 3fb1 s VAL 218 CO 0.51 -0.89 -0.09 0.54 -0.31 0.00 0.00 175.10 174.87 3fb1 s VAL 219 N -3.53 0.69 0.13 1.32 0.11 -0.30 -0.64 120.40 118.18 3fb1 s VAL 219 Ca 0.07 -0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 58.47 3fb1 s VAL 219 Cb 0.05 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3fb1 s VAL 219 CO -0.07 0.04 0.32 0.61 -3.33 0.00 0.00 175.10 172.68 3fb1 n GLY 220 N 2.45 1.47 0.17 6.54 0.00 -0.94 0.19 105.19 115.07 3fb1 n GLY 220 Ca -0.16 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.87 3fb1 n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fb1 n MET 221 N -0.22 1.33 -1.29 1.61 2.81 -1.25 0.14 117.12 120.25 3fb1 n MET 221 Ca -0.03 -2.71 0.00 0.00 -1.81 0.00 0.00 57.70 53.15 3fb1 n MET 221 Cb 0.22 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3fb1 n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3fb1 n SER 222 N -1.38 0.00 0.00 7.83 3.41 -1.26 -4.47 113.62 117.76 3fb1 n SER 222 Ca 0.17 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 3fb1 n SER 222 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3fb1 n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fb1 n THR 223 N 0.00 0.00 -0.13 6.66 -1.04 -1.26 -4.55 114.28 113.96 3fb1 n THR 223 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3fb1 n THR 223 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 3fb1 n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fb1 h ILE 224 N 0.00 0.87 -0.21 12.58 2.04 -1.97 0.96 117.51 131.78 3fb1 h ILE 224 Ca 0.00 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.79 3fb1 h ILE 224 Cb 0.00 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3fb1 h ILE 224 CO 0.00 0.06 0.01 -0.65 0.00 0.00 0.00 178.15 177.57 3fb1 h PRO 225 N 0.31 0.08 -0.56 2.37 0.11 -1.98 0.32 132.00 132.64 3fb1 h PRO 225 Ca 0.19 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.33 3fb1 h PRO 225 Cb 0.18 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3fb1 h PRO 225 CO -0.20 0.05 0.32 0.93 -0.21 0.00 0.00 178.00 178.90 3fb1 h GLU 226 N 0.08 0.61 -0.51 1.05 3.07 -1.81 -1.81 114.58 115.26 3fb1 h GLU 226 Ca 0.10 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3fb1 h GLU 226 Cb 0.12 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3fb1 h GLU 226 CO -0.16 0.40 0.32 0.28 -1.40 0.00 0.00 179.01 178.46 3fb1 h VAL 227 N 0.63 1.14 -0.16 3.13 2.07 -0.11 0.19 116.25 123.14 3fb1 h VAL 227 Ca 0.24 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3fb1 h VAL 227 Cb 0.08 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3fb1 h VAL 227 CO -0.13 0.14 -0.07 0.58 0.02 0.00 0.00 177.57 178.11 3fb1 h VAL 228 N 0.68 0.77 -0.84 2.57 2.07 -0.11 0.28 116.25 121.67 3fb1 h VAL 228 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 3fb1 h VAL 228 Cb -0.05 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3fb1 h VAL 228 CO -0.04 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.36 3fb1 h ILE 229 N -0.05 1.26 -0.03 4.57 1.08 -0.96 0.32 117.51 123.69 3fb1 h ILE 229 Ca 0.09 -0.71 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3fb1 h ILE 229 Cb 0.18 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.10 3fb1 h ILE 229 CO -0.19 0.31 0.01 0.00 -0.69 0.00 0.00 178.15 177.59 3fb1 h ALA 230 N 1.22 0.04 -0.84 1.87 0.00 -0.10 -2.03 119.26 119.43 3fb1 h ALA 230 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fb1 h ALA 230 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3fb1 h ALA 230 CO -0.04 -0.39 0.44 0.00 0.00 0.00 0.00 179.25 179.26 3fb1 h ARG 231 N -0.08 1.19 -0.70 0.00 2.47 -0.12 0.24 114.38 117.37 3fb1 h ARG 231 Ca 0.01 -0.15 0.11 0.00 -1.26 0.00 0.00 59.98 58.69 3fb1 h ARG 231 Cb 0.14 -0.23 -0.08 0.00 -1.65 0.00 0.00 29.97 28.15 3fb1 h ARG 231 CO -0.00 0.88 0.29 1.25 0.56 0.00 0.00 179.97 182.96 3fb1 h HIS 232 N 1.18 0.51 -0.59 3.04 2.76 -0.06 -1.63 115.15 120.36 3fb1 h HIS 232 Ca 0.29 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3fb1 h HIS 232 Cb 0.06 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.90 3fb1 h HIS 232 CO 0.01 0.12 0.00 0.00 -1.30 0.00 0.00 177.93 176.76 3fb1 n GLY 234 N 0.68 0.46 3.68 0.00 0.00 -0.61 -4.98 105.19 104.42 3fb1 n GLY 234 Ca 0.28 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3fb1 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fb1 s ILE 235 N -2.02 4.89 0.49 -0.61 1.01 0.75 -4.98 121.20 120.72 3fb1 s ILE 235 Ca 0.00 1.69 -0.22 0.00 0.00 0.00 0.00 60.65 62.11 3fb1 s ILE 235 Cb 0.00 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 3fb1 s ILE 235 CO 0.00 0.06 1.20 -1.10 0.00 0.00 0.00 174.94 175.10 3fb1 s GLN 236 N 1.91 3.59 -0.09 2.79 -0.21 0.37 -3.91 119.66 124.10 3fb1 s GLN 236 Ca 0.40 1.85 0.03 0.00 0.02 0.00 0.00 55.36 57.67 3fb1 s GLN 236 Cb -0.17 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.51 3fb1 s GLN 236 CO 0.15 -0.71 -0.21 0.08 -2.12 0.00 0.00 175.29 172.48 3fb1 s VAL 237 N -1.52 1.80 -0.06 1.09 1.01 -1.26 0.65 120.40 122.12 3fb1 s VAL 237 Ca 0.66 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3fb1 s VAL 237 Cb -0.30 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3fb1 s VAL 237 CO 0.36 0.50 -0.19 0.12 0.00 0.00 0.00 175.10 175.90 3fb1 s PHE 238 N 0.45 2.59 -0.09 5.22 2.19 0.10 -1.75 117.98 126.68 3fb1 s PHE 238 Ca -0.17 -0.45 -0.07 0.00 0.33 0.00 0.00 56.93 56.57 3fb1 s PHE 238 Cb -0.17 -1.64 0.03 0.00 -1.31 0.00 0.00 43.02 39.93 3fb1 s PHE 238 CO 0.07 -0.03 0.23 0.00 1.83 0.00 0.00 175.22 177.32 3fb1 s ALA 239 N -0.36 -0.56 -0.00 11.12 0.00 -1.26 -0.21 121.76 130.49 3fb1 s ALA 239 Ca 0.03 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3fb1 s ALA 239 Cb -0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 3fb1 s ALA 239 CO 0.02 -0.14 -0.04 0.08 0.00 0.00 0.00 175.76 175.69 3fb1 s VAL 240 N 0.51 0.30 -0.12 0.00 1.01 0.29 -0.31 120.40 122.07 3fb1 s VAL 240 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3fb1 s VAL 240 Cb -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 3fb1 s VAL 240 CO -0.03 0.09 0.25 -0.44 0.00 0.00 0.00 175.10 174.98 3fb1 s SER 241 N -0.05 6.48 -0.22 3.32 0.01 0.13 -1.49 113.70 121.87 3fb1 s SER 241 Ca 0.01 0.56 -0.21 0.00 1.31 0.00 0.00 55.95 57.63 3fb1 s SER 241 Cb -0.02 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 3fb1 s SER 241 CO -0.00 0.25 0.63 -0.22 0.41 0.00 0.00 173.24 174.30 3fb1 s LEU 242 N -0.30 4.11 -0.57 2.44 0.20 0.46 0.77 118.68 125.79 3fb1 s LEU 242 Ca 0.17 0.78 -0.28 0.00 0.69 0.00 0.00 54.13 55.49 3fb1 s LEU 242 Cb -0.13 -2.88 0.00 0.00 -0.43 0.00 0.00 46.19 42.76 3fb1 s LEU 242 CO 0.05 -0.32 1.53 -0.69 -0.29 0.00 0.00 176.35 176.64 3fb1 s VAL 243 N 2.17 3.66 -1.57 1.68 1.01 0.04 -0.63 120.40 126.76 3fb1 s VAL 243 Ca 0.28 0.53 0.22 0.00 0.00 0.00 0.00 61.98 63.00 3fb1 s VAL 243 Cb -0.16 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 3fb1 s VAL 243 CO 0.09 -1.10 0.99 0.35 0.00 0.00 0.00 175.10 175.43 3fb1 n THR 244 N 6.94 0.00 -3.69 3.92 -2.24 -0.37 -0.40 114.28 118.44 3fb1 n THR 244 Ca 0.14 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 3fb1 n THR 244 Cb 0.50 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 3fb1 n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fb1 s ASN 245 N -2.67 -0.35 -0.36 3.42 2.20 -1.23 -4.94 114.94 111.01 3fb1 s ASN 245 Ca 0.14 0.36 -0.16 0.00 -0.94 0.00 0.00 52.86 52.25 3fb1 s ASN 245 Cb 0.17 0.46 -0.00 0.00 -2.00 0.00 0.00 41.25 39.87 3fb1 s ASN 245 CO 0.69 -0.45 0.41 -0.63 -2.94 0.00 0.00 177.10 174.19 3fb1 s ILE 246 N -1.07 5.11 0.24 0.54 -1.09 -1.26 0.66 121.20 124.34 3fb1 s ILE 246 Ca -0.11 0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.03 3fb1 s ILE 246 Cb -0.04 -3.90 -0.13 0.00 -1.58 0.00 0.00 42.46 36.81 3fb1 s ILE 246 CO 0.05 -0.19 1.44 -1.20 -1.23 0.00 0.00 174.94 173.80 3fb1 n SER 247 N 5.52 2.90 -4.73 3.58 7.64 -0.32 -4.85 113.62 123.35 3fb1 n SER 247 Ca -0.08 1.14 -0.40 0.00 1.01 0.00 0.00 58.87 60.54 3fb1 n SER 247 Cb 0.49 -1.45 -0.05 0.00 -1.01 0.00 0.00 64.21 62.20 3fb1 n SER 247 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fb1 s VAL 248 N -0.00 4.91 -0.14 0.44 1.01 -1.26 -4.93 120.40 120.43 3fb1 s VAL 248 Ca 0.68 1.56 0.18 0.00 0.00 0.00 0.00 61.98 64.40 3fb1 s VAL 248 Cb -0.63 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.41 3fb1 s VAL 248 CO 0.49 0.29 0.32 0.18 0.00 0.00 0.00 175.10 176.38 3fb1 n LEU 249 N 3.39 0.23 -4.15 3.92 4.32 -1.26 -3.85 117.00 119.60 3fb1 n LEU 249 Ca -0.01 0.11 -0.26 0.00 -0.02 0.00 0.00 56.01 55.83 3fb1 n LEU 249 Cb 0.51 0.31 -0.16 0.00 -1.62 0.00 0.00 43.42 42.47 3fb1 n LEU 249 CO 0.47 0.35 -0.50 -0.62 -1.22 0.00 0.00 177.39 175.87 3fb1 s ASP 250 N -5.44 2.15 0.25 -1.43 -1.08 -1.26 -4.12 116.67 105.73 3fb1 s ASP 250 Ca -0.08 -0.34 0.11 0.00 -0.52 0.00 0.00 52.55 51.72 3fb1 s ASP 250 Cb 0.08 -0.44 0.24 0.00 -1.46 0.00 0.00 42.92 41.34 3fb1 s ASP 250 CO 0.84 0.18 1.54 1.62 0.52 0.00 0.00 175.17 179.87 3fb1 h VAL 251 N 5.00 1.41 0.00 1.11 3.04 -1.92 -2.73 116.25 122.16 3fb1 h VAL 251 Ca -0.35 -2.38 0.00 0.00 -1.01 0.00 0.00 66.70 62.97 3fb1 h VAL 251 Cb 1.16 2.31 0.00 0.00 -2.01 0.00 0.00 31.29 32.75 3fb1 h VAL 251 CO 0.48 0.66 0.00 -0.33 -1.01 0.00 0.00 177.57 177.37 3fb1 h GLU 252 N 0.00 0.00 0.00 4.17 4.39 -2.02 -3.53 114.58 117.59 3fb1 h GLU 252 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3fb1 h GLU 252 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3fb1 h GLU 252 CO 0.09 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.37 3fb1 n SER 253 N -2.36 0.00 0.00 1.42 7.64 -1.03 -5.24 113.62 114.05 3fb1 n SER 253 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3fb1 n SER 253 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3fb1 n SER 253 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fb1 n ALA 267 N -3.00 0.00 0.01 -0.43 0.00 -1.26 -4.91 120.51 110.92 3fb1 n ALA 267 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3fb1 n ALA 267 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3fb1 n ALA 267 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3fb1 h GLN 268 N 0.00 -0.53 -0.25 0.00 4.20 -2.00 -0.98 115.11 115.56 3fb1 h GLN 268 Ca 0.00 0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 3fb1 h GLN 268 Cb 0.00 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3fb1 h GLN 268 CO 0.00 -0.35 -0.39 0.00 -0.67 0.00 0.00 178.83 177.42 3fb1 h ARG 269 N -0.55 0.58 -0.44 1.46 2.47 -1.98 -1.80 114.38 114.13 3fb1 h ARG 269 Ca 0.06 -0.29 0.06 0.00 -1.26 0.00 0.00 59.98 58.54 3fb1 h ARG 269 Cb 0.66 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.93 3fb1 h ARG 269 CO -0.39 0.88 0.15 0.00 0.56 0.00 0.00 179.97 181.17 3fb1 h ALA 270 N 1.09 0.52 -0.02 0.04 0.00 -1.76 0.78 119.26 119.91 3fb1 h ALA 270 Ca 0.04 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3fb1 h ALA 270 Cb 0.89 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3fb1 h ALA 270 CO 0.08 -0.24 -0.78 1.05 0.00 0.00 0.00 179.25 179.36 3fb1 h GLU 271 N 0.32 0.20 -0.53 0.00 4.11 -1.15 -0.44 114.58 117.09 3fb1 h GLU 271 Ca 0.21 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 3fb1 h GLU 271 Cb 0.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3fb1 h GLU 271 CO -0.22 0.88 0.28 1.25 0.07 0.00 0.00 179.01 181.28 3fb1 h LEU 272 N 0.12 0.67 -0.50 3.06 5.85 -0.47 0.29 115.31 124.33 3fb1 h LEU 272 Ca -0.03 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3fb1 h LEU 272 Cb 1.36 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3fb1 h LEU 272 CO 0.12 0.58 0.09 -0.03 -0.34 0.00 0.00 178.44 178.85 3fb1 h MET 273 N 0.71 0.83 -0.94 1.25 4.05 0.68 0.87 114.93 122.38 3fb1 h MET 273 Ca 0.18 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3fb1 h MET 273 Cb 0.07 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.72 3fb1 h MET 273 CO -0.03 0.82 0.57 -0.56 0.23 0.00 0.00 176.91 177.94 3fb1 h GLN 274 N 0.71 1.28 -0.04 0.39 -0.00 -0.84 0.58 115.11 117.20 3fb1 h GLN 274 Ca 0.15 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3fb1 h GLN 274 Cb 0.39 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3fb1 h GLN 274 CO 0.01 0.89 0.02 1.03 -0.00 0.00 0.00 178.83 180.78 3fb1 h SER 275 N 1.30 0.03 -0.48 0.06 0.87 -0.47 -0.84 113.55 114.01 3fb1 h SER 275 Ca 0.34 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.96 3fb1 h SER 275 Cb -0.06 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 3fb1 h SER 275 CO -0.06 0.02 0.20 -0.25 -0.53 0.00 0.00 176.83 176.21 3fb1 h TRP 276 N 0.04 0.36 -0.36 2.24 7.01 -0.18 0.27 115.95 125.33 3fb1 h TRP 276 Ca 0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3fb1 h TRP 276 Cb -0.00 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 3fb1 h TRP 276 CO -0.08 0.14 0.23 0.74 -2.79 0.00 0.00 178.44 176.68 3fb1 h PHE 277 N 0.40 0.46 -0.62 2.65 -1.00 -0.65 0.25 116.94 118.42 3fb1 h PHE 277 Ca 0.22 0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.04 3fb1 h PHE 277 Cb 0.20 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 3fb1 h PHE 277 CO -0.14 0.31 0.39 0.93 -1.61 0.00 0.00 178.31 178.19 3fb1 h GLU 278 N 0.48 0.74 -0.27 1.51 5.08 -0.35 0.46 114.58 122.23 3fb1 h GLU 278 Ca 0.13 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3fb1 h GLU 278 Cb -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3fb1 h GLU 278 CO -0.03 0.49 -0.33 0.87 -1.00 0.00 0.00 179.01 179.01 3fb1 h LYS 279 N 0.76 0.57 0.04 2.33 1.57 -0.45 0.11 116.57 121.50 3fb1 h LYS 279 Ca 0.25 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3fb1 h LYS 279 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3fb1 h LYS 279 CO -0.10 0.83 -0.02 0.82 -0.57 0.00 0.00 179.45 180.41 3fb1 h ILE 280 N 0.48 1.11 -0.99 1.86 2.04 -0.16 -2.65 117.51 119.20 3fb1 h ILE 280 Ca 0.06 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.53 3fb1 h ILE 280 Cb 0.81 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 3fb1 h ILE 280 CO 0.07 0.11 0.64 0.40 0.00 0.00 0.00 178.15 179.37 3fb1 h ILE 281 N -0.24 1.08 -1.00 -0.67 2.04 -0.61 0.13 117.51 118.23 3fb1 h ILE 281 Ca -0.00 -0.40 0.19 0.00 1.00 0.00 0.00 64.86 65.65 3fb1 h ILE 281 Cb 0.22 -0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.02 3fb1 h ILE 281 CO 0.01 0.21 0.61 -0.08 0.00 0.00 0.00 178.15 178.90 3fb1 h GLU 282 N 1.15 0.72 -0.03 2.37 4.57 -0.59 -1.79 114.58 120.99 3fb1 h GLU 282 Ca 0.43 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 3fb1 h GLU 282 Cb 0.17 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3fb1 h GLU 282 CO -0.17 0.48 -0.01 1.63 -1.18 0.00 0.00 179.01 179.75 3fb1 n LYS 283 N -4.77 2.15 -2.01 1.92 4.76 0.29 -4.96 118.16 115.55 3fb1 n LYS 283 Ca 0.24 -1.70 -0.40 0.00 -2.87 0.00 0.00 58.31 53.58 3fb1 n LYS 283 Cb 0.59 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 3fb1 n LYS 283 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fb1 s LEU 284 N -2.02 4.28 0.65 -0.35 1.43 -0.20 -4.95 118.68 117.52 3fb1 s LEU 284 Ca 0.30 2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 55.97 3fb1 s LEU 284 Cb 0.20 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 3fb1 s LEU 284 CO 0.32 -0.79 1.21 -2.84 0.23 0.00 0.00 176.35 174.48 3fb1 s PRO 285 N -2.11 2.65 -0.03 1.29 0.02 -1.26 -5.04 135.00 130.52 3fb1 s PRO 285 Ca 0.54 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 3fb1 s PRO 285 Cb -0.40 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.24 3fb1 s PRO 285 CO 0.53 -1.46 0.07 0.21 -0.33 0.00 0.00 177.00 176.02 3fb1 s LYS 286 N -3.57 0.05 0.00 5.54 2.20 -1.26 -5.18 119.74 117.51 3fb1 s LYS 286 Ca 0.76 0.16 0.27 0.00 -0.36 0.00 0.00 55.97 56.80 3fb1 s LYS 286 Cb -0.30 -0.07 0.81 0.00 -1.51 0.00 0.00 37.83 36.76 3fb1 s LYS 286 CO 0.38 -0.07 1.61 -0.25 -0.36 0.00 0.00 175.35 176.66